3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide

C11H16N4OS — CID 103419175

IUPAC3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide
SMILESCCN(CC)c1sc(C(=O)NC)c(N)c1C#N
InChIInChI=1S/C11H16N4OS/c1-4-15(5-2)11-7(6-12)8(13)9(17-11)10(16)14-3/h4-5,13H2,1-3H3,(H,14,16)
InChIKeyHTOBZVKJMPPJAM-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.41
Rot. Bonds4

About 3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide

3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide (PubChem CID 103419175) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide
PubChem CID103419175
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide
SMILESCCN(CC)c1sc(C(=O)NC)c(N)c1C#N
InChIInChI=1S/C11H16N4OS/c1-4-15(5-2)11-7(6-12)8(13)9(17-11)10(16)14-3/h4-5,13H2,1-3H3,(H,14,16)
InChIKeyHTOBZVKJMPPJAM-UHFFFAOYSA-N
XLogP1.41
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide (CID 103419175) is 3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide is CCN(CC)c1sc(C(=O)NC)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide?
The InChIKey is HTOBZVKJMPPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-4-15(5-2)11-7(6-12)8(13)9(17-11)10(16)14-3/h4-5,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide?
3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103419175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).